3-(1,3-thiazol-2-ylmethyl)pentan-3-ol

C9H15NOS — CID 79819045

IUPAC3-(1,3-thiazol-2-ylmethyl)pentan-3-ol
SMILESCCC(O)(CC)Cc1nccs1
InChIInChI=1S/C9H15NOS/c1-3-9(11,4-2)7-8-10-5-6-12-8/h5-6,11H,3-4,7H2,1-2H3
InChIKeyOWGURGKYMMBMBR-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.24
Rot. Bonds4

About 3-(1,3-thiazol-2-ylmethyl)pentan-3-ol

3-(1,3-thiazol-2-ylmethyl)pentan-3-ol (PubChem CID 79819045) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-ylmethyl)pentan-3-ol.

Molecular Properties

Compound Name3-(1,3-thiazol-2-ylmethyl)pentan-3-ol
PubChem CID79819045
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name3-(1,3-thiazol-2-ylmethyl)pentan-3-ol
SMILESCCC(O)(CC)Cc1nccs1
InChIInChI=1S/C9H15NOS/c1-3-9(11,4-2)7-8-10-5-6-12-8/h5-6,11H,3-4,7H2,1-2H3
InChIKeyOWGURGKYMMBMBR-UHFFFAOYSA-N
XLogP2.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79819044
3-ethyl-3-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-one
CID 103447076
4-[2-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]phenol
CID 83075531
4-(tert-butylamino)-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79820463
2-[[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]amino]acetic acid;propane
CID 144892398
ethane;2-ethyl-1,3-thiazole;iodomethane
CID 168945349
3-[[1-(1,3-thiazol-2-yl)propylamino]methyl]pentan-3-ol
CID 104578211
2-(2,5-dimethylphenyl)-1-(1,3-thiazol-2-yl)propan-2-ol
CID 79823757
[3,3-dimethyl-1-(1,3-thiazol-2-yl)pentan-2-yl]hydrazine
CID 105324712
2-methyl-2-(1,3-thiazol-2-yl)butanoic acid
CID 130545087
diethyl 2-(2-methylpropyl)-2-(1,3-thiazol-2-ylmethyl)propanedioate
CID 103972814
1-(2-methoxyethylamino)-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79819687

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-ylmethyl)pentan-3-ol?
The IUPAC name of 3-(1,3-thiazol-2-ylmethyl)pentan-3-ol (CID 79819045) is 3-(1,3-thiazol-2-ylmethyl)pentan-3-ol.
What is the SMILES notation for 3-(1,3-thiazol-2-ylmethyl)pentan-3-ol?
The canonical SMILES for 3-(1,3-thiazol-2-ylmethyl)pentan-3-ol is CCC(O)(CC)Cc1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-ylmethyl)pentan-3-ol?
The InChIKey is OWGURGKYMMBMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-3-9(11,4-2)7-8-10-5-6-12-8/h5-6,11H,3-4,7H2,1-2H3.
What are the key properties of 3-(1,3-thiazol-2-ylmethyl)pentan-3-ol?
3-(1,3-thiazol-2-ylmethyl)pentan-3-ol has a molecular weight of 185.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-ylmethyl)pentan-3-ol is sourced from PubChem (CID 79819045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).